Chemical Properties of Pinonic acid (CAS 473-72-3)

Pinonic acid

InChI
InChI=1S/C10H16O3/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8+/m0/s1
InChI Key
SIZDUQQDBXJXLQ-JGVFFNPUSA-N
Formula
C10H16O3
SMILES
CC(=O)C1CC(CC(=O)O)C1(C)C
Molecular Weight1
184.23
CAS
473-72-3
Other Names
  • ( -)-cis-pinonic acid
  • 2-(3-Acetyl-2,2-dimethylcyclobutyl)acetic acid
  • Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-
  • NSC 29469
  • cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid
  • cis-3-acetyl-2,2-dimethylcyclobutylacetic acid
  • cis-pinonic acid
  • dl-cis-pinonic acid
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Physical Properties

Property Value Unit Source
ω 0.6418 Relay (1.0) Calculated Property
Δf -333.60 kJ/mol Joback Calculated Property
Δfgas -613.32 kJ/mol Relay (1.0) Calculated Property
Δfus 20.82 kJ/mol Joback Calculated Property
Δvap 90.11 kJ/mol Relay (1.0) Calculated Property
IE 9.10 eV Relay (1.0) Calculated Property
log10WS -0.96 Relay (1.0) Calculated Property
logPoct/wat 1.712 Crippen Calculated Property
McVol 149.910 ml/mol McGowan Calculated Property
Pc 2999.15 kPa Joback Calculated Property
Inp 1427.00 NIST
Tboil 529.38 K Relay (1.0) Calculated Property
Tc 758.71 K Relay (1.0) Calculated Property
Tfus 335.69 K Relay (1.0) Calculated Property
Vc 0.483 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [409.51; 478.95] J/mol×K [630.03; 826.05] Show Hide
Cp,gas 409.51 J/mol×K 630.03 Joback Calculated Property
Cp,gas 422.36 J/mol×K 662.70 Joback Calculated Property
Cp,gas 434.58 J/mol×K 695.37 Joback Calculated Property
Cp,gas 446.27 J/mol×K 728.04 Joback Calculated Property
Cp,gas 457.50 J/mol×K 760.71 Joback Calculated Property
Cp,gas 468.37 J/mol×K 793.38 Joback Calculated Property
Cp,gas 478.95 J/mol×K 826.05 Joback Calculated Property

Similar Compounds

Pinonic acid. cis-DL-Pinonic acid. Pinonaldehyde. Dehydrocholic acid. verbanone. Norinone. Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-. Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-, (1R)-. 3«alpha»,21-dihydroxy-5«beta»-pregnane-11,20-dione. 3,7-Dimethyl-6-oxo-octanoic acid. Bicyclo[3.1.1]heptan-2-one, 3,6,6-trimethyl-. 5-Oxo-3,5-seco-a-norcholestan-3-oic acid. Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-(2-methylpropyl)-. 2-(4-Methyl-2-oxo-cyclohexyl)-propanoic acid. Pregnan-3«alpha»-ol-20-one.

Find more compounds similar to Pinonic acid.

Mixtures

Sources

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